2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine

C13H11FN2S2 — CID 44582008

IUPAC2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine
SMILESNS#Cc1cc(SCc2ccccc2F)ccn1
InChIInChI=1S/C13H11FN2S2/c14-13-4-2-1-3-10(13)8-17-12-5-6-16-11(7-12)9-18-15/h1-7H,8,15H2
InChIKeyVRBWRPWWJNZWGX-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.43
Rot. Bonds3

About 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine

2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine (PubChem CID 44582008) has the molecular formula C13H11FN2S2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine
PubChem CID44582008
Molecular FormulaC13H11FN2S2
Molecular Weight278.38 g/mol
Exact Mass278.03
IUPAC Name2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine
SMILESNS#Cc1cc(SCc2ccccc2F)ccn1
InChIInChI=1S/C13H11FN2S2/c14-13-4-2-1-3-10(13)8-17-12-5-6-16-11(7-12)9-18-15/h1-7H,8,15H2
InChIKeyVRBWRPWWJNZWGX-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine (CID 44582008) is 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine is NS#Cc1cc(SCc2ccccc2F)ccn1.
What is the InChIKey of 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine?
The InChIKey is VRBWRPWWJNZWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S2/c14-13-4-2-1-3-10(13)8-17-12-5-6-16-11(7-12)9-18-15/h1-7H,8,15H2.
What are the key properties of 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine?
2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine has a molecular weight of 278.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(amino-λ4-sulfanylidyne)methyl]-4-[(2-fluorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 44582008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).